3QH2
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![BU of 3qh2 by Molmil](/molmil-images/mine/3qh2) | Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P | Descriptor: | 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION | Authors: | Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-01-25 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase. J.Am.Chem.Soc., 133, 2011
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2QJ1
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![BU of 2qj1 by Molmil](/molmil-images/mine/2qj1) | Crystal structure of infectious bursal disease virus VP1 polymerase incubated with an oligopeptide mimicking the VP3 C-terminus | Descriptor: | Infectious bursal disease virus VP1 polymerase | Authors: | Garriga, D, Navarro, A, Querol-Audi, J, Abaitua, F, Rodriguez, J.F, Verdaguer, N. | Deposit date: | 2007-07-06 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Unprecedented activation mechanism of a non-canonical RNA-dependent RNA polymerase To be Published
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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2QK5
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![BU of 2qk5 by Molmil](/molmil-images/mine/2qk5) | Structure of BACE1 bound to SCH626485 | Descriptor: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | Authors: | Strickland, C.O, Iserloh, U. | Deposit date: | 2007-07-10 | Release date: | 2008-03-11 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3GIL
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![BU of 3gil by Molmil](/molmil-images/mine/3gil) | Dpo4 extension ternary complex with oxoG(anti)-T(anti) pair | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DT))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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2QTL
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![BU of 2qtl by Molmil](/molmil-images/mine/2qtl) | Crystal Structure of the FAD-containing FNR-like Module of Human Methionine Synthase Reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2007-08-02 | Release date: | 2007-11-13 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
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2QKP
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![BU of 2qkp by Molmil](/molmil-images/mine/2qkp) | Crystal structure of C-terminal domain of SMU_1151c from Streptococcus mutans | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Uncharacterized protein | Authors: | Ramagopal, U.A, Toro, R, Gilmore, M, Wu, B, Bain, K, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-11 | Release date: | 2007-07-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of C-terminal domain of SMU_1151c from Streptococcus mutans. To be Published
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3QDM
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![BU of 3qdm by Molmil](/molmil-images/mine/3qdm) | |
2QTZ
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![BU of 2qtz by Molmil](/molmil-images/mine/2qtz) | Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2007-08-02 | Release date: | 2007-11-13 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
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2QL2
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![BU of 2ql2 by Molmil](/molmil-images/mine/2ql2) | Crystal Structure of the basic-helix-loop-helix domains of the heterodimer E47/NeuroD1 bound to DNA | Descriptor: | DNA (5'-D(*DAP*DGP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DTP*DGP*DGP*DCP*DCP*DTP*DA)-3'), DNA (5'-D(*DTP*DAP*DGP*DGP*DCP*DCP*DAP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DCP*DT)-3'), Neurogenic differentiation factor 1, ... | Authors: | Rose, R.B, Longo, A, Guanga, G.P. | Deposit date: | 2007-07-12 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of E47-NeuroD1/beta2 bHLH domain-DNA complex: heterodimer selectivity and DNA recognition. Biochemistry, 47, 2008
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3X16
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![BU of 3x16 by Molmil](/molmil-images/mine/3x16) | |
3QEU
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![BU of 3qeu by Molmil](/molmil-images/mine/3qeu) | The crystal structure of TCR DMF5 | Descriptor: | DMF5 alpha chain, DMF5 beta chain, GLYCEROL, ... | Authors: | Borbulevych, O.Y, Santhanagopolan, S.M, Baker, B.M. | Deposit date: | 2011-01-20 | Release date: | 2011-07-06 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | TCRs Used in Cancer Gene Therapy Cross-React with MART-1/Melan-A Tumor Antigens via Distinct Mechanisms. J.Immunol., 187, 2011
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2QUV
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![BU of 2quv by Molmil](/molmil-images/mine/2quv) | |
2QLV
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![BU of 2qlv by Molmil](/molmil-images/mine/2qlv) | |
3Q6K
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![BU of 3q6k by Molmil](/molmil-images/mine/3q6k) | Salivary protein from Lutzomyia longipalpis | Descriptor: | 43.2 kDa salivary protein, CITRIC ACID, SEROTONIN | Authors: | Andersen, J.F, Xu, X, Chang, B.W, Collin, N, Valenzuela, J.G, Ribeiro, J.M. | Deposit date: | 2011-01-02 | Release date: | 2011-07-27 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection. J.Biol.Chem., 286, 2011
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2QWT
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![BU of 2qwt by Molmil](/molmil-images/mine/2qwt) | Crystal structure of the TetR transcription regulatory protein from Mycobacterium vanbaalenii | Descriptor: | Transcriptional regulator, TetR family | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Adams, J, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-10 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the TetR transcription regulatory protein from Mycobacterium vanbaalenii. To be Published
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2QX9
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![BU of 2qx9 by Molmil](/molmil-images/mine/2qx9) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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3GPI
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![BU of 3gpi by Molmil](/molmil-images/mine/3gpi) | Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase | Authors: | Ramagopal, U.A, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-03-23 | Release date: | 2009-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus To be published
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2QYQ
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![BU of 2qyq by Molmil](/molmil-images/mine/2qyq) | |
3QK0
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![BU of 3qk0 by Molmil](/molmil-images/mine/3qk0) | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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3GR4
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![BU of 3gr4 by Molmil](/molmil-images/mine/3gr4) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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3Q9Y
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![BU of 3q9y by Molmil](/molmil-images/mine/3q9y) | Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5 | Descriptor: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, SULFATE ION | Authors: | Battistutta, R, Ranchio, A, Papinutto, E. | Deposit date: | 2011-01-10 | Release date: | 2012-01-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2 To be Published
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3X40
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![BU of 3x40 by Molmil](/molmil-images/mine/3x40) | Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium chloride | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | Deposit date: | 2015-03-10 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions. J.Biol.Chem., 290, 2015
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2R03
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![BU of 2r03 by Molmil](/molmil-images/mine/2r03) | |
3QAR
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![BU of 3qar by Molmil](/molmil-images/mine/3qar) | Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32 | Descriptor: | 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-11 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of triazine-benzimidazoles as selective inhibitors of mTOR. Bioorg.Med.Chem.Lett., 21, 2011
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